Geometry & MOs

Info

ID:	290673
PubChem CID:	109817064
Reduced:	ClIO2N5C19H29 (1)
Stoich.:	ABC2D5E19F29 (1)
Weight, g/mol:	393.193153
ΔH_f, kcal/mol:	-80.8
Dipole, Da:	3.1
IP(EA), eV:	-8.95(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-4-[[N'-methyl-N-(1-propanoylpyrrolidin-3-yl)carbamimidoyl]amino]butanamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NC)NCCCC(=O)NC2=CC=C(C=C2)Cl.I

DOS

IR

Vibrations