Geometry & MOs

Info

ID:	441412
PubChem CID:	135234567
Reduced:	N2Cl3H21C40 (1)
Stoich.:	A2B3C21D40 (1)
Weight, g/mol:	213.055656
ΔH_f, kcal/mol:	135.85
Dipole, Da:	5.15
IP(EA), eV:	-8.24(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-5-methoxy-2-methylphenyl)acetyl chloride

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2)C4=C(C=C(C=C4)C5=CC6=C(C=C5)NC7=C8C=C(C=CC8=C9C=C(C=CC9=C67)Cl)Cl)C1=C3C=CC(=C1)Cl

DOS

IR

Vibrations