Geometry & MOs

Info

ID:	234384
PubChem CID:	92298306
Reduced:	ClN4O6C29H33 (1)
Stoich.:	AB4C6D29E33 (1)
Weight, g/mol:	306.186277
ΔH_f, kcal/mol:	-188.38
Dipole, Da:	1.51
IP(EA), eV:	-9.6(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2-chlorophenyl)-5-(diethylamino)-2-propan-2-ylpentanenitrile

Drug info:

PubChemData

Smile

CCC(C)(C)NC(=O)[C@H](C1=CC=CC=C1Cl)N(C2=CC=C(C=C2)C(=O)OC)C(=O)CCC(=O)NC3=NOC(=C3)C

DOS

IR

Vibrations