Geometry & MOs

Info

ID:	122706
PubChem CID:	50817904
Reduced:	ClO3N4H25C27 (1)
Stoich.:	AB3C4D25E27 (1)
Weight, g/mol:	437.161853
ΔH_f, kcal/mol:	-4.06
Dipole, Da:	5.56
IP(EA), eV:	-9.33(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N-(5-chloro-2-methoxyphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]-3-(dimethylamino)benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)C3=NC(=NO3)CCN(C)C(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations