Geometry & MOs

Info

ID:	362609
PubChem CID:	127308380
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-97.85
Dipole, Da:	2.88
IP(EA), eV:	-8.08(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

CC1(CN(CCO1)C(=O)NC2=CC3=C(C=C2)N(C=C3)CCN4CCOCC4)C

DOS

IR

Vibrations