Geometry & MOs

Info

ID:	370643
PubChem CID:	127339802
Reduced:	OSN6C18H22 (1)
Stoich.:	ABC6D18E22 (1)
Weight, g/mol:	325.19026
ΔH_f, kcal/mol:	62.42
Dipole, Da:	6.65
IP(EA), eV:	-9.14(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopropylpyrimidin-4-yl)-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)C3=CN=C(S3)C4=CN(N=C4)C

DOS

IR

Vibrations