Geometry & MOs

Info

ID:	223950
PubChem CID:	85336254
Reduced:	O2N4C21H44 (1)
Stoich.:	A2B4C21D44 (1)
Weight, g/mol:	384.208075
ΔH_f, kcal/mol:	-117.24
Dipole, Da:	6.76
IP(EA), eV:	-8.86(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-chlorophenyl)cyclobutyl]-3-(2-pyrrolidin-1-ylethyl)-3,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CCCCCCCCCCC=NN=C(N)N.CCCCCCCCC(=O)O

DOS

IR

Vibrations