Geometry & MOs

Info

ID:	304575
PubChem CID:	124756324
Reduced:	O2N5C13H19 (1)
Stoich.:	A2B5C13D19 (1)
Weight, g/mol:	368.157244
ΔH_f, kcal/mol:	-11.07
Dipole, Da:	8.74
IP(EA), eV:	-9.2(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC[C@@H](C1=NC(=NO1)C)NC(=O)CCCN2C=CN=C2

DOS

IR

Vibrations