Geometry & MOs

Info

ID:	270148
PubChem CID:	103630415
Reduced:	ClNSO2C12H20 (1)
Stoich.:	ABCD2E12F20 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	-106.26
Dipole, Da:	5.2
IP(EA), eV:	-8.24(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-diamino-N-[2-(2-methoxyphenyl)ethyl]benzamide

Drug info:

PubChemData

Smile

C[C@H](CO)NCC1=CC(=C(C=C1)SC)OC.Cl

DOS

IR

Vibrations