Geometry & MOs

Info

ID:	73443
PubChem CID:	48417709
Reduced:	ClON4C22H25 (1)
Stoich.:	ABC4D22E25 (1)
Weight, g/mol:	391.119988
ΔH_f, kcal/mol:	8.82
Dipole, Da:	6.79
IP(EA), eV:	-8.01(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-(1-phenylethylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CC(=O)NC2=CC(=C(C=C2)NC(C)C3=CC=CC=C3)Cl

DOS

IR

Vibrations