Geometry & MOs

Info

ID:	224623
PubChem CID:	85345408
Reduced:	O2C19H32 (1)
Stoich.:	A2B19C32 (1)
Weight, g/mol:	301.165108
ΔH_f, kcal/mol:	-135.11
Dipole, Da:	2.5
IP(EA), eV:	-10.23(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-6,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1H-pteridin-4-one

Drug info:

PubChemData

Smile

CC1CCC(C(C1)OC(=O)C2CC23CCCCC3)C(C)C

DOS

IR

Vibrations