Geometry & MOs

Info

ID:	180057
PubChem CID:	76570528
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	492.204052
ΔH_f, kcal/mol:	-47.03
Dipole, Da:	2.91
IP(EA), eV:	-8.75(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]-7,7-dimethyl-5-phenyl-2,3,5,6-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CC(N=C2N1NCC2C(=O)N3CCCC3COC)C4=CC=CC=C4)C

DOS

IR

Vibrations