Geometry & MOs

Info

ID:	445181
PubChem CID:	135264788
Reduced:	SN3O3C23H23 (1)
Stoich.:	AB3C3D23E23 (1)
Weight, g/mol:	413.196408
ΔH_f, kcal/mol:	-37.58
Dipole, Da:	4.41
IP(EA), eV:	-8.56(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-1-[(2-cyano-1-phenylethyl)-(methylideneamino)amino]prop-1-en-2-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(OC2=CC=CC=C12)CN(C)C(=O)/C=C/C3=CC4=C(N=C3)N(C(=O)CC4)SC

DOS

IR

Vibrations