Geometry & MOs

Info

ID:	330499
PubChem CID:	127247906
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	333.205242
ΔH_f, kcal/mol:	-81.38
Dipole, Da:	2.82
IP(EA), eV:	-8.88(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1-dimethyl-4-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carbonyl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CN(CCN(C1)C(=O)CC2=CC3=C(CCC3)C=C2)C

DOS

IR

Vibrations