Geometry & MOs

Info

ID:	196695
PubChem CID:	78866058
Reduced:	SN4C16H24 (1)
Stoich.:	AB4C16D24 (1)
Weight, g/mol:	387.169525
ΔH_f, kcal/mol:	34.17
Dipole, Da:	6.93
IP(EA), eV:	-8.17(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-nitroquinolin-2-amine

Drug info:

PubChemData

Smile

CCN(CC)C(C)CNC1=C2C3=C(CCC3)SC2=NC=N1

DOS

IR

Vibrations