Geometry & MOs

Info

ID:	179786
PubChem CID:	76532841
Reduced:	N5O5C32H35 (1)
Stoich.:	A5B5C32D35 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-104.71
Dipole, Da:	6.99
IP(EA), eV:	-8.78(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[3-methyl-1-[2-(5-naphthalen-1-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1C2CN(C1C(=O)NC(C(=O)NC(C(=O)N2)CC3=CC=CC=C3)CC4=CC=CC=C4)C(=O)C(CC5=CC=C(C=C5)O)N

DOS

IR

Vibrations