Geometry & MOs

Info

ID:	11540
PubChem CID:	117387
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	275.126991
ΔH_f, kcal/mol:	-14.18
Dipole, Da:	7.8
IP(EA), eV:	-8.54(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(2-nitrophenyl)methanone

Drug info:

PubChemData

Smile

CN1CC2CCC(C1)N2C(=O)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations