Geometry & MOs

Info

ID:	363133
PubChem CID:	127310166
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	-62.46
Dipole, Da:	6.21
IP(EA), eV:	-8.96(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)C3=CC=CC(=C3)CN4CCOCC4

DOS

IR

Vibrations