Geometry & MOs

Info

ID:	282546
PubChem CID:	103930440
Reduced:	NOC6H13 (2)
Stoich.:	ABC6D13 (2)
Weight, g/mol:	252.137497
ΔH_f, kcal/mol:	-124.68
Dipole, Da:	3.54
IP(EA), eV:	-9.27(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylpyrazol-4-yl)methyl]quinolin-3-amine

Drug info:

PubChemData

Smile

CC(C)N(CCOC)C(=O)[C@@H](C(C)(C)C)N

DOS

IR

Vibrations