Geometry & MOs

Info

ID:	439090
PubChem CID:	135228853
Reduced:	NC22H33 (1)
Stoich.:	AB22C33 (1)
Weight, g/mol:	421.236542
ΔH_f, kcal/mol:	-2.7
Dipole, Da:	1.53
IP(EA), eV:	-8.97(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,3Z)-6-amino-3-ethylidene-6-[5-methoxy-2-(3-methylbutyl)-4-(2-methylpyrimidin-5-yl)phenyl]hex-5-ene-2,4-dione

Drug info:

PubChemData

Smile

CC=N/C=C(\C)/C1=CC=CC=C1C(C)CC(C)C2CCCCC2

DOS

IR

Vibrations