Geometry & MOs

Info

ID:	180056
PubChem CID:	76570527
Reduced:	O3N5C30H37 (1)
Stoich.:	A3B5C30D37 (1)
Weight, g/mol:	370.236876
ΔH_f, kcal/mol:	-30.26
Dipole, Da:	6.8
IP(EA), eV:	-8.98(-0.71)
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-(methoxymethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC(CC)(C1=CC=C(C=C1)C(=O)OCC)C2=NN=C(O2)C3CNN4C3=NC(CC4(C)C)C5=CC=CC=C5

DOS

IR

Vibrations