Geometry & MOs

Info

ID:	187962
PubChem CID:	77648634
Reduced:	N4O4C27H34 (1)
Stoich.:	A4B4C27D34 (1)
Weight, g/mol:	308.163711
ΔH_f, kcal/mol:	-151.14
Dipole, Da:	7.91
IP(EA), eV:	-9.31(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1,5-diphenyl-3,3a,4,5,6,7a-hexahydro-2H-pyrazolo[4,3-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C(=O)N2CCCCC3=CC=CC=C32)NC(=O)N4CC(CC4C(=O)N(C)C)O

DOS

IR

Vibrations