Geometry & MOs

Info

ID:	158095
PubChem CID:	56462973
Reduced:	O3N5C21H31 (1)
Stoich.:	A3B5C21D31 (1)
Weight, g/mol:	424.211055
ΔH_f, kcal/mol:	-126.77
Dipole, Da:	7.62
IP(EA), eV:	-9.13(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(dimethylamino)-3-nitrophenyl]-[2-[3-(dimethylamino)piperidine-1-carbonyl]phenyl]methanone

Drug info:

PubChemData

Smile

CCCN1C2=C(C(=CC(=N2)C(C)C)C(=O)N3CCCC(C3)N(C)C)C(=O)NC1=O

DOS

IR

Vibrations