Geometry & MOs

Info

ID:	363082
PubChem CID:	127310113
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	380.188212
ΔH_f, kcal/mol:	-14.35
Dipole, Da:	2.49
IP(EA), eV:	-9.15(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-2-oxoethyl]sulfanyl-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)N3CCOC(C3)CN4C=C(C=N4)C

DOS

IR

Vibrations