Geometry & MOs

Info

ID:	248245
PubChem CID:	103079974
Reduced:	O3N4C13H22 (1)
Stoich.:	A3B4C13D22 (1)
Weight, g/mol:	281.148789
ΔH_f, kcal/mol:	-48.51
Dipole, Da:	8.14
IP(EA), eV:	-8.89(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-methyl-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

CCC1CCC(CC1)(CNC2=NN(C=C2[N+](=O)[O-])C)O

DOS

IR

Vibrations