Geometry & MOs

Info

ID:	185370
PubChem CID:	77290058
Reduced:	O3N5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	423.22704
ΔH_f, kcal/mol:	-70.23
Dipole, Da:	4.53
IP(EA), eV:	-9.8(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl] N-(1-methylpyrrolidin-3-yl)carbamate

Drug info:

PubChemData

Smile

CN1C(=O)C=C(N=C1N2CCN(C3C2CCCC3)C(=O)O)C4=CC=NC=C4

DOS

IR

Vibrations