Geometry & MOs

Info

ID:	330163
PubChem CID:	127247150
Reduced:	N3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	299.17461
ΔH_f, kcal/mol:	-50.97
Dipole, Da:	4.64
IP(EA), eV:	-9.15(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCN(C2)C(=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations