Geometry & MOs

Info

ID:	248290
PubChem CID:	103080333
Reduced:	O2N5C12H21 (1)
Stoich.:	A2B5C12D21 (1)
Weight, g/mol:	273.122575
ΔH_f, kcal/mol:	22.47
Dipole, Da:	6.65
IP(EA), eV:	-8.74(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methyl-4-nitropyrazol-3-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine

Drug info:

PubChemData

Smile

CCNCC1CCN(CC1)C2=NN(C=C2[N+](=O)[O-])C

DOS

IR

Vibrations