Geometry & MOs

Info

ID:	348859
PubChem CID:	127274507
Reduced:	N2O3C11H20 (1)
Stoich.:	A2B3C11D20 (1)
Weight, g/mol:	282.194343
ΔH_f, kcal/mol:	-148.96
Dipole, Da:	2.53
IP(EA), eV:	-9.29(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4-(2-methyl-1,4-oxazepane-4-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)CN(C)C(=O)C

DOS

IR

Vibrations