Geometry & MOs

Info

ID:	132373
PubChem CID:	51350679
Reduced:	O3N4C29H36 (1)
Stoich.:	A3B4C29D36 (1)
Weight, g/mol:	446.268176
ΔH_f, kcal/mol:	-69.63
Dipole, Da:	4.52
IP(EA), eV:	-8.75(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methoxyphenyl)pentan-3-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(C1=CC=C(C=C1)COC(=O)C)NC(=O)C2=CNN3C2=NC(CC3(C)C)C4=CC=CC=C4

DOS

IR

Vibrations