Geometry & MOs

Info

ID:	349226
PubChem CID:	127274952
Reduced:	NOC7H11 (2)
Stoich.:	ABC7D11 (2)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-90.13
Dipole, Da:	6.34
IP(EA), eV:	-8.55(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methyl-1,4-oxazepane-4-carbonyl)-N-phenylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=C(N(C(=C2)C)C)C

DOS

IR

Vibrations