Geometry & MOs

Info

ID:	362784
PubChem CID:	127309332
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	-121.6
Dipole, Da:	7.02
IP(EA), eV:	-8.77(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCCN(C2)C(=O)NC3CCCOC4=CC=CC=C34

DOS

IR

Vibrations