Geometry & MOs

Info

ID:	331608
PubChem CID:	127249617
Reduced:	N6C19H26 (1)
Stoich.:	A6B19C26 (1)
Weight, g/mol:	406.167273
ΔH_f, kcal/mol:	88.17
Dipole, Da:	4.08
IP(EA), eV:	-9.09(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-2-methyl-3-(pyrazol-1-ylmethyl)pyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=NN2C(=CC=NC2=C1CN3C=CC=N3)C4CCN(C4)CC(C)C

DOS

IR

Vibrations