Geometry & MOs

Info

ID:	367336
PubChem CID:	127324225
Reduced:	O2N7C19H29 (1)
Stoich.:	A2B7C19D29 (1)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-31.1
Dipole, Da:	3.2
IP(EA), eV:	-8.87(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-N-[1-(oxolan-2-yl)propan-2-yl]-7-phenyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1N2CCC(C2)NC(=O)NCCC(=O)N3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations