Geometry & MOs

Info

ID:	441095
PubChem CID:	135233091
Reduced:	ClIO4N5C30H31 (1)
Stoich.:	ABC4D5E30F31 (1)
Weight, g/mol:	311.2613
ΔH_f, kcal/mol:	-39.27
Dipole, Da:	12.53
IP(EA), eV:	-9.55(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-but-1-en-2-yl-5-(4-but-1-en-2-yl-3-methyl-5-methylidenecyclohexa-1,3-dien-1-yl)hex-1-en-1-amine

Drug info:

PubChemData

Smile

CC/C=C\C(=C(/C)\C(C(=O)NC1CCC1)N(C2=CC(=CC=C2)I)C(=O)[C@@H]3CCOC(=O)N3C4=NC=CC(=C4)C#N)\Cl

DOS

IR

Vibrations