Geometry & MOs

Info

ID:	138224
PubChem CID:	52330838
Reduced:	N4O7H18C19 (1)
Stoich.:	A4B7C18D19 (1)
Weight, g/mol:	305.199094
ΔH_f, kcal/mol:	-134.38
Dipole, Da:	4.56
IP(EA), eV:	-9.08(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azocan-1-yl)-3-(3,4-dimethoxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NNC(=O)[C@H]1COC2=CC=CC=C2O1)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations