Geometry & MOs

Info

ID:	67007
PubChem CID:	46505692
Reduced:	N3O5H21C22 (1)
Stoich.:	A3B5C21D22 (1)
Weight, g/mol:	403.262363
ΔH_f, kcal/mol:	22.82
Dipole, Da:	6.88
IP(EA), eV:	-9.41(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,5E)-3,5-bis[[4-(dimethylamino)phenyl]methylidene]-1-propan-2-ylpiperidin-4-one

Drug info:

PubChemData

Smile

CC(C)N1C/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)/C(=C\C3=CC(=CC=C3)[N+](=O)[O-])/C1

DOS

IR

Vibrations