Geometry & MOs

Info

ID:	326174
PubChem CID:	126686895
Reduced:	NO2C43H75 (1)
Stoich.:	AB2C43D75 (1)
Weight, g/mol:	287.210996
ΔH_f, kcal/mol:	-139.68
Dipole, Da:	4.77
IP(EA), eV:	-8.65(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4R,5R)-4-amino-5-but-2-en-2-yl-3-imino-4-methylcyclohexen-1-yl]-5-methyl-1,2-dihydropyrimidin-6-amine

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCC(=O)NC1CCC2(C(C1)CCC3C2CCC4(C3CC[C@@H]4[C@H](C)CCC(=O)C)C)C

DOS

IR

Vibrations