Geometry & MOs

Info

ID:	248211
PubChem CID:	103079735
Reduced:	O2N6C11H20 (1)
Stoich.:	A2B6C11D20 (1)
Weight, g/mol:	276.12224
ΔH_f, kcal/mol:	32.34
Dipole, Da:	6.43
IP(EA), eV:	-8.44(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(methoxymethyl)phenyl]methyl]-1-methyl-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCNC2=NN(C=C2[N+](=O)[O-])C

DOS

IR

Vibrations