Geometry & MOs

Info

ID:	365432
PubChem CID:	127317831
Reduced:	O3N4C16H24 (1)
Stoich.:	A3B4C16D24 (1)
Weight, g/mol:	256.189926
ΔH_f, kcal/mol:	-152.21
Dipole, Da:	4.75
IP(EA), eV:	-9.53(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)-2-oxoethyl]-4,7-dimethyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)C3NC(=O)NCCN4C(=O)CNC4=O

DOS

IR

Vibrations