Geometry & MOs

Info

ID:	184647
PubChem CID:	77188293
Reduced:	N3O4C25H27 (1)
Stoich.:	A3B4C25D27 (1)
Weight, g/mol:	471.273321
ΔH_f, kcal/mol:	-94.27
Dipole, Da:	4.3
IP(EA), eV:	-8.77(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[[2-(2-benzofuran-1-ylmethyl)pyrrolidine-1-carbonyl]-(2-methylpropyl)amino]-3-oxopropyl]carbamate

Drug info:

PubChemData

Smile

CCOC(CC1=CC=C(C=C1)C2=NC(=CC=C2)N(C)C(=O)NC3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations