Geometry & MOs

Info

ID:	149998
PubChem CID:	53789681
Reduced:	ClN2C8H11 (1)
Stoich.:	AB2C8D11 (1)
Weight, g/mol:	397.225308
ΔH_f, kcal/mol:	41.81
Dipole, Da:	1.03
IP(EA), eV:	-8.53(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 3,7-dimethyl-9-(2,4,6-trimethyl-3-nitrophenyl)nona-2,4,6,8-tetraenoate

Drug info:

PubChemData

Smile

C1CN(C=C1)N2CCC=C2Cl

DOS

IR

Vibrations