Geometry & MOs

Info

ID:	380396
PubChem CID:	134970836
Reduced:	O2N3C17H22 (1)
Stoich.:	A2B3C17D22 (1)
Weight, g/mol:	241.142641
ΔH_f, kcal/mol:	-11.37
Dipole, Da:	4.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756403
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-6,6,8,8-tetramethyl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1(C2=NCC(CN2C(N1[O])(C)C)C(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations