Geometry & MOs

Info

ID:	360246
PubChem CID:	127300889
Reduced:	O3N6C17H24 (1)
Stoich.:	A3B6C17D24 (1)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	-76.53
Dipole, Da:	5.11
IP(EA), eV:	-9.02(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CN2CCCN(CC2)C(=O)C3=CN(C(=O)NC3=O)C

DOS

IR

Vibrations