Geometry & MOs

Info

ID:	145698
PubChem CID:	53576038
Reduced:	ClSN3O3H14C16 (1)
Stoich.:	ABC3D3E14F16 (1)
Weight, g/mol:	295.225977
ΔH_f, kcal/mol:	20.69
Dipole, Da:	5.6
IP(EA), eV:	-9.38(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

CN(CC1=CC=C(S1)Cl)C(=O)CN2C=CC3=C2C=CC(=C3)[N+](=O)[O-]

DOS

IR

Vibrations