Geometry & MOs

Info

ID:	85273
PubChem CID:	49873359
Reduced:	O2N5H29C30 (1)
Stoich.:	A2B5C29D30 (1)
Weight, g/mol:	358.154209
ΔH_f, kcal/mol:	40.37
Dipole, Da:	2.45
IP(EA), eV:	-8.38(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(quinolin-6-ylmethyl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2=CC=C(C=C2)N3C(=O)C=CC4=CN=C5C=CC(=CC5=C43)C6=CN=C(C=C6)OC

DOS

IR

Vibrations