Geometry & MOs

Info

ID:	433675
PubChem CID:	135173815
Reduced:	ON8C38H40 (1)
Stoich.:	AB8C38D40 (1)
Weight, g/mol:	195.1987
ΔH_f, kcal/mol:	102.68
Dipole, Da:	7.07
IP(EA), eV:	-8.11(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-5-methyl-N-(2-methylpropyl)hexa-1,5-dien-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=CC3=CC(=CN=C32)CNCCO)C4=C(C(=CC=C4)NC5=NC=CC6=CC(=CN=C65)CN7CCCC7)C

DOS

IR

Vibrations