Geometry & MOs

Info

ID:	448975
PubChem CID:	135294935
Reduced:	NOC24H35 (1)
Stoich.:	ABC24D35 (1)
Weight, g/mol:	296.225249
ΔH_f, kcal/mol:	-47.03
Dipole, Da:	5.57
IP(EA), eV:	-8.3(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z,3E,5Z)-3-methyl-1-(4-methylidenecyclohexa-1,5-dien-1-yl)-7-piperidin-4-ylhepta-1,3,5-trien-1-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CC(C)C)C/C(=C\C(=C)/C(=C(\C)/NC)/C(=O)C)/C

DOS

IR

Vibrations