Geometry & MOs

Info

ID:	277402
PubChem CID:	103828280
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	269.152812
ΔH_f, kcal/mol:	-48.61
Dipole, Da:	2.76
IP(EA), eV:	-8.78(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[(1-ethylcyclopropyl)methyl]quinoline-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CCN(C1)C(=O)C2=NC3=CC=CC=C3C(=C2)N)O

DOS

IR

Vibrations