Geometry & MOs

Info

ID:	326118
PubChem CID:	126686588
Reduced:	N5C22H31 (1)
Stoich.:	A5B22C31 (1)
Weight, g/mol:	347.210996
ΔH_f, kcal/mol:	48.36
Dipole, Da:	2.61
IP(EA), eV:	-7.98(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-(1H-benzimidazol-2-yl)-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pent-2-ene-1,4-diamine

Drug info:

PubChemData

Smile

C1CCC2=C(C(C1)NC(CCCN)CC3=NC4=CC=CC=C4N3)NCC=C2

DOS

IR

Vibrations