Geometry & MOs

Info

ID:	348835
PubChem CID:	127274483
Reduced:	N2O3C16H28 (1)
Stoich.:	A2B3C16D28 (1)
Weight, g/mol:	282.194343
ΔH_f, kcal/mol:	-163.7
Dipole, Da:	3.93
IP(EA), eV:	-9.37(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[2-(2-methyl-1,4-oxazepane-4-carbonyl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2CCCCN2C(=O)C(C)C

DOS

IR

Vibrations