Geometry & MOs

Info

ID:	152161
PubChem CID:	56311030
Reduced:	N2O2C11H13 (2)
Stoich.:	A2B2C11D13 (2)
Weight, g/mol:	356.190006
ΔH_f, kcal/mol:	-59.62
Dipole, Da:	7.78
IP(EA), eV:	-9.24(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-[(2-fluorophenyl)methyl]-1,4-diazepane

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations