Geometry & MOs

Info

ID:	260235
PubChem CID:	103185577
Reduced:	O2N5C13H17 (1)
Stoich.:	A2B5C13D17 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	48.59
Dipole, Da:	4.54
IP(EA), eV:	-9.42(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethyl-4-nitropyridin-2-yl)methyl]-1-(oxan-4-yl)methanamine

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1[N+](=O)[O-])C)CNCCN2C=CN=C2

DOS

IR

Vibrations