Geometry & MOs

Info

ID:	260225
PubChem CID:	103185351
Reduced:	N3O4C13H19 (1)
Stoich.:	A3B4C13D19 (1)
Weight, g/mol:	264.158626
ΔH_f, kcal/mol:	-91.35
Dipole, Da:	5.71
IP(EA), eV:	-10.0(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,5-dimethyl-4-nitropyridin-2-yl)methyl]-1,4-diazepane

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1[N+](=O)[O-])C)CC(CCCN)C(=O)O

DOS

IR

Vibrations