Geometry & MOs

Info

ID:	343878
PubChem CID:	127267054
Reduced:	ON2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	317.185175
ΔH_f, kcal/mol:	-9.53
Dipole, Da:	5.61
IP(EA), eV:	-9.18(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-2-(1-ethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)acetamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)N(N=C3)CC

DOS

IR

Vibrations