Geometry & MOs

Info

ID:	180963
PubChem CID:	76712454
Reduced:	ClNO2C19H20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	387.160121
ΔH_f, kcal/mol:	-44.36
Dipole, Da:	3.21
IP(EA), eV:	-9.16(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(4-chlorophenyl)methylideneamino]-3-[4-(hydroxymethyl)phenyl]-2-methylpropanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(C)(C(=O)OC)N=CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations