Geometry & MOs

Info

ID:	363223
PubChem CID:	127310363
Reduced:	O2F3N5C17H26 (1)
Stoich.:	A2B3C5D17E26 (1)
Weight, g/mol:	386.231791
ΔH_f, kcal/mol:	-217.21
Dipole, Da:	7.72
IP(EA), eV:	-9.09(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylpyrazol-1-yl)methyl]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)NCC3CCN(C3)CC(F)(F)F

DOS

IR

Vibrations