Geometry & MOs

Info

ID:	364657
PubChem CID:	127315952
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	362.210661
ΔH_f, kcal/mol:	-101.98
Dipole, Da:	4.87
IP(EA), eV:	-9.08(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-1,3-dimethyl-N-[(2-methylquinolin-4-yl)methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC(C1)NC(=O)CN2CCN(CC2)C(=O)C3=COC4=CC=CC=C43

DOS

IR

Vibrations