Geometry & MOs

Info

ID:	149465
PubChem CID:	53789138
Reduced:	O5C24H28 (1)
Stoich.:	A5B24C28 (1)
Weight, g/mol:	352.178693
ΔH_f, kcal/mol:	-187.99
Dipole, Da:	5.32
IP(EA), eV:	-9.76(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3,5-dimethoxy-4-(2-methoxyethyl)phenyl]methyl]-3-phenyliminopropanenitrile

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(C(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)C(=O)C

DOS

IR

Vibrations