Geometry & MOs

Info

ID:	155930
PubChem CID:	56368339
Reduced:	N2O4C29H32 (1)
Stoich.:	A2B4C29D32 (1)
Weight, g/mol:	371.17461
ΔH_f, kcal/mol:	-135.96
Dipole, Da:	1.11
IP(EA), eV:	-8.49(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OC2CCN(CC2)C(=O)C3CCCN3C(=O)C4=C(C5=CC=CC=C5C=C4)O)C

DOS

IR

Vibrations