Geometry & MOs

Info

ID:	349599
PubChem CID:	127275751
Reduced:	NOC7H11 (3)
Stoich.:	ABC7D11 (3)
Weight, g/mol:	297.241627
ΔH_f, kcal/mol:	-126.98
Dipole, Da:	2.91
IP(EA), eV:	-8.53(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-tert-butylpiperidin-4-yl)-2-methyl-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NCC(C2=CC=CC=C2OC)N3CCCCC3

DOS

IR

Vibrations