Geometry & MOs

Info

ID:	445579
PubChem CID:	135268318
Reduced:	N3C30H31 (1)
Stoich.:	A3B30C31 (1)
Weight, g/mol:	316.287849
ΔH_f, kcal/mol:	120.04
Dipole, Da:	5.55
IP(EA), eV:	-7.8(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,3Z)-2-methyl-N-[[(1R)-4-(methylaminomethyl)cyclohex-3-en-1-yl]methyl]-N-[(E)-3-methylbut-1-enyl]hexa-1,3-dien-1-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C=C(C3=CCCC=C32)C4CCN(CC4)C(=C)C5=CC=CC(=C5)C#N

DOS

IR

Vibrations