Geometry & MOs

Info

ID:	399341
PubChem CID:	135039746
Reduced:	O3C14H16 (1)
Stoich.:	A3B14C16 (1)
Weight, g/mol:	247.076392
ΔH_f, kcal/mol:	-108.73
Dipole, Da:	1.57
IP(EA), eV:	-9.51(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(4-methoxyphenyl)-4-methylaniline

Drug info:

PubChemData

Smile

CC(=O)OCC1=CC=C(C=C1)[C@H]2C[C@@H](C=C2)O

DOS

IR

Vibrations