Geometry & MOs

Info

ID:	290691
PubChem CID:	109817102
Reduced:	IO2N5C21H34 (1)
Stoich.:	AB2C5D21E34 (1)
Weight, g/mol:	387.263425
ΔH_f, kcal/mol:	-77.62
Dipole, Da:	4.24
IP(EA), eV:	-8.95(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations