Geometry & MOs

Info

ID:	290687
PubChem CID:	109817094
Reduced:	IO2N5C21H32 (1)
Stoich.:	AB2C5D21E32 (1)
Weight, g/mol:	400.258674
ΔH_f, kcal/mol:	-62.64
Dipole, Da:	10.84
IP(EA), eV:	-9.11(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[[N'-methyl-N-(1-propanoylpyrrolidin-3-yl)carbamimidoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NC)NCC2=CC(=CC=C2)NC(=O)C3CCC3.I

DOS

IR

Vibrations