Geometry & MOs

Info

ID:	445167
PubChem CID:	135264768
Reduced:	N3O5C21H33 (1)
Stoich.:	A3B5C21D33 (1)
Weight, g/mol:	452.196074
ΔH_f, kcal/mol:	-246.75
Dipole, Da:	4.23
IP(EA), eV:	-9.0(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(Z)-1-amino-3-[(4-phenoxyphenyl)methylimino]prop-1-en-2-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CCCC(CC1)N2CC(=C(N(C2=O)C3CCCCCC3)O)C(=O)NCC(=O)O

DOS

IR

Vibrations