Geometry & MOs

Info

ID:	330747
PubChem CID:	127248154
Reduced:	N3O3C27H31 (1)
Stoich.:	A3B3C27D31 (1)
Weight, g/mol:	410.177647
ΔH_f, kcal/mol:	-54.9
Dipole, Da:	7.74
IP(EA), eV:	-9.25(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-[[3-(2-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(=O)N2CCC(C2)(CC3=CC(=NO3)C4=CC=CC=C4C)C(=O)NC)C

DOS

IR

Vibrations