Geometry & MOs

Info

ID:	359565
PubChem CID:	127298839
Reduced:	O2N3C22H31 (1)
Stoich.:	A2B3C22D31 (1)
Weight, g/mol:	385.21139
ΔH_f, kcal/mol:	-87.2
Dipole, Da:	6.81
IP(EA), eV:	-9.28(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(azepan-1-yl)ethyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C(=O)NCCC(=O)NC2CC3CC2C4C3CCC4

DOS

IR

Vibrations