Geometry & MOs

Info

ID:	180061
PubChem CID:	76570628
Reduced:	ON6C24H28 (1)
Stoich.:	AB6C24D28 (1)
Weight, g/mol:	398.268176
ΔH_f, kcal/mol:	43.16
Dipole, Da:	2.78
IP(EA), eV:	-8.52(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7,7-dimethyl-5-phenyl-2,3,5,6-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-3-yl)-[2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1(CC(N=C2N1NCC2C(=O)NCCC3=CNC4=CC=CC=C43)C5=CC=CC=N5)C

DOS

IR

Vibrations