Geometry & MOs

Info

ID:	348863
PubChem CID:	127274511
Reduced:	O3N4C18H26 (1)
Stoich.:	A3B4C18D26 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-88.65
Dipole, Da:	9.6
IP(EA), eV:	-8.91(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1-benzofuran-5-yl-(2-methyl-1,4-oxazepan-4-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)CCC2=C(C3=C(NN(C3=NC2=O)C)C)C

DOS

IR

Vibrations