Geometry & MOs

Info

ID:	232699
PubChem CID:	87576745
Reduced:	ClON7C19H22 (1)
Stoich.:	ABC7D19E22 (1)
Weight, g/mol:	385.040312
ΔH_f, kcal/mol:	51.88
Dipole, Da:	2.6
IP(EA), eV:	-8.92(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-[4-(cyclopropylmethoxy)phenyl]-2-(3,4-dichlorophenyl)acetaldehyde;hydrochloride

Drug info:

PubChemData

Smile

CCC1=C(C(=NC=C1C)CN2C[C@@H](C3=C2N=C(N=C3Cl)N)CC4=NN=CO4)C

DOS

IR

Vibrations