Geometry & MOs

Info

ID:	245164
PubChem CID:	99437718
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-60.24
Dipole, Da:	6.12
IP(EA), eV:	-8.46(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[[4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NCCC(=O)NC2=CC=C(C=C2)CN3CCC[C@H](C3)C(=O)N

DOS

IR

Vibrations