Geometry & MOs

Info

ID:	319476
PubChem CID:	126656197
Reduced:	N3C18H19 (1)
Stoich.:	A3B18C19 (1)
Weight, g/mol:	277.157898
ΔH_f, kcal/mol:	54.7
Dipole, Da:	2.56
IP(EA), eV:	-8.61(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-(aminomethyl)phenyl]methyl]-3-methylquinolin-2-amine

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=CC=C2N=C1N)C3=CC=CC(=C3)CN

DOS

IR

Vibrations