Geometry & MOs

Info

ID:	370584
PubChem CID:	127339722
Reduced:	ON7C16H19 (1)
Stoich.:	AB7C16D19 (1)
Weight, g/mol:	311.17461
ΔH_f, kcal/mol:	79.39
Dipole, Da:	4.83
IP(EA), eV:	-9.21(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=NC2=NC(=NN12)C(=O)N3CCC(CC3)C4=CN(N=C4)C

DOS

IR

Vibrations