Geometry & MOs

Info

ID:	290919
PubChem CID:	111639751
Reduced:	ClIN5C18H25 (1)
Stoich.:	ABC5D18E25 (1)
Weight, g/mol:	398.187339
ΔH_f, kcal/mol:	80.82
Dipole, Da:	5.0
IP(EA), eV:	-8.98(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-N'-methylcarbamimidoyl]amino]methyl]-N-ethylbenzamide

Drug info:

PubChemData

Smile

CCNC(=NCC1=CN(N=C1)C)NCC2(CC2)C3=CC(=CC=C3)Cl.I

DOS

IR

Vibrations