Geometry & MOs

Info

ID:	363325
PubChem CID:	127310837
Reduced:	FO2N6C20H23 (1)
Stoich.:	AB2C6D20E23 (1)
Weight, g/mol:	368.196074
ΔH_f, kcal/mol:	-6.94
Dipole, Da:	2.41
IP(EA), eV:	-9.22(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-cyclopropylpyrimidine-4-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=NC(=NO4)C)F)C

DOS

IR

Vibrations