Geometry & MOs

Info

ID:	415790
PubChem CID:	135088791
Reduced:	O2N4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	378.230728
ΔH_f, kcal/mol:	14.18
Dipole, Da:	3.68
IP(EA), eV:	-9.17(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(azepan-1-ylmethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methylbenzamide

Drug info:

PubChemData

Smile

C1CC1C2=CC(=NN2)C(=O)N[C@@H]3COC[C@H]3CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations