Geometry & MOs

Info

ID:	46449
PubChem CID:	10524446
Reduced:	O2N4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	390.184447
ΔH_f, kcal/mol:	-7.89
Dipole, Da:	2.89
IP(EA), eV:	-8.32(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine

Drug info:

PubChemData

Smile

CCOCCNC(=O)CN1C(=C2CCC3=CC=CC=C3C2=N1)NC4=CC=CC=C4

DOS

IR

Vibrations