Geometry & MOs

Info

ID:	435805
PubChem CID:	135192470
Reduced:	ClON5C16H16 (2)
Stoich.:	ABC5D16E16 (2)
Weight, g/mol:	171.081477
ΔH_f, kcal/mol:	77.39
Dipole, Da:	7.83
IP(EA), eV:	-8.29(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-5-chloro-2-propan-2-ylidenehexa-3,5-dien-1-amine

Drug info:

PubChemData

Smile

CC1CCCC(C2=NC=CC(=C2)C(=NC3=CN=CC=C3)/C(=C\N)/NC1=O)N4C=NC(=CC4=O)C5=C(C=CC(=C5)Cl)N(/C=C(\N)/Cl)N

DOS

IR

Vibrations