Geometry & MOs

Info

ID:	274156
PubChem CID:	103807411
Reduced:	FION2C16H22 (1)
Stoich.:	ABCD2E16F22 (1)
Weight, g/mol:	276.195011
ΔH_f, kcal/mol:	-68.95
Dipole, Da:	2.43
IP(EA), eV:	-8.98(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(cyclopropylmethylamino)piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

C1CCCC(CC1)NCCNC(=O)C2=C(C=C(C=C2)F)I

DOS

IR

Vibrations