Geometry & MOs

Info

ID:	375221
PubChem CID:	131480946
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	223.168462
ΔH_f, kcal/mol:	-39.24
Dipole, Da:	2.79
IP(EA), eV:	-8.46(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-1-[2-(aminomethyl)-4-methylpiperazin-1-yl]hexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C(C)(C)C)O)C=CCN

DOS

IR

Vibrations