Geometry & MOs

Info

ID:	371438
PubChem CID:	127346354
Reduced:	N2O3C15H26 (1)
Stoich.:	A2B3C15D26 (1)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-161.58
Dipole, Da:	5.47
IP(EA), eV:	-9.2(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-(oxolan-3-yl)acetyl]amino]phenyl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)CCNC(=O)CC2CCOC2

DOS

IR

Vibrations