Geometry & MOs

Info

ID:	330779
PubChem CID:	127248186
Reduced:	O2N5C22H25 (1)
Stoich.:	A2B5C22D25 (1)
Weight, g/mol:	412.237545
ΔH_f, kcal/mol:	0.26
Dipole, Da:	5.36
IP(EA), eV:	-8.71(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrazol-4-yl]-N-(quinolin-6-ylmethyl)pyridin-2-amine

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)C2=C(C=NN2)C3=CC(=NC=C3)NCC4=CC=CC=C4OC

DOS

IR

Vibrations