Geometry & MOs

Info

ID:	349999
PubChem CID:	127276872
Reduced:	O3N4C18H30 (1)
Stoich.:	A3B4C18D30 (1)
Weight, g/mol:	254.199428
ΔH_f, kcal/mol:	-154.23
Dipole, Da:	4.85
IP(EA), eV:	-8.86(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-4-yl-(4-propan-2-yl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)N1CCCN(CC1)C(=O)CCN2C(=O)C3(CCCC3)NC2=O

DOS

IR

Vibrations