Geometry & MOs

Info

ID:	305633
PubChem CID:	124963228
Reduced:	N3O3C17H17 (1)
Stoich.:	A3B3C17D17 (1)
Weight, g/mol:	437.315461
ΔH_f, kcal/mol:	-50.03
Dipole, Da:	5.54
IP(EA), eV:	-9.17(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(cyclopropylmethyl)propanamide

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)[C@H]2CCCN2C(=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations