Geometry & MOs

Info

ID:	330519
PubChem CID:	127247926
Reduced:	O2N3C14H25 (1)
Stoich.:	A2B3C14D25 (1)
Weight, g/mol:	270.169191
ΔH_f, kcal/mol:	-95.16
Dipole, Da:	2.69
IP(EA), eV:	-8.8(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-methyl-4-[2-(methylamino)-2-oxoethyl]-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC(C1)C(=O)NC)CC2CCC2

DOS

IR

Vibrations