Geometry & MOs

Info

ID:	398890
PubChem CID:	135036091
Reduced:	O2C9H9 (2)
Stoich.:	A2B9C9 (2)
Weight, g/mol:	140.026702
ΔH_f, kcal/mol:	-108.09
Dipole, Da:	4.39
IP(EA), eV:	-8.7(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(4-chlorophenyl)methanamine

Drug info:

PubChemData

Smile

CC(=O)C[C@@H](C1=CC=C(C=C1)OC)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations