Geometry & MOs

Info

ID:	235168
PubChem CID:	92304169
Reduced:	O2N3C19H19 (1)
Stoich.:	A2B3C19D19 (1)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	65.27
Dipole, Da:	10.14
IP(EA), eV:	-8.44(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-(4-ethylbenzoyl)-N-(pyridin-4-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

Drug info:

PubChemData

Smile

CC\1(C2=CC=CC=C2N(/C1=C/C=NC3=CC=C(C=C3)[N+](=O)[O-])C)C

DOS

IR

Vibrations