Geometry & MOs

Info

ID:	364434
PubChem CID:	127315686
Reduced:	O2N3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	256.097855
ΔH_f, kcal/mol:	-66.19
Dipole, Da:	5.41
IP(EA), eV:	-8.9(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chlorofuran-2-yl)-(4,7-dimethyl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CC(=O)N(C=C2)C)C

DOS

IR

Vibrations