Geometry & MOs

Info

ID:	131584
PubChem CID:	51230694
Reduced:	N3O4C22H25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	381.168856
ΔH_f, kcal/mol:	-130.69
Dipole, Da:	5.54
IP(EA), eV:	-8.94(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[3-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]carbamate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)NCCC(=O)NC2=CC=CC=C2C(=O)N3CCCC3

DOS

IR

Vibrations