Geometry & MOs

Info

ID:	364504
PubChem CID:	127315756
Reduced:	O2N3C14H25 (1)
Stoich.:	A2B3C14D25 (1)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	-102.35
Dipole, Da:	6.33
IP(EA), eV:	-9.03(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-(3-methylfuran-2-yl)methanone

Drug info:

PubChemData

Smile

CCN1CC(CC1=O)C(=O)N2CCN(CCC2C)C

DOS

IR

Vibrations