Geometry & MOs

Info

ID:	358541
PubChem CID:	127296137
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	377.21147
ΔH_f, kcal/mol:	-49.47
Dipole, Da:	2.17
IP(EA), eV:	-8.54(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=CO2)CCNC(=O)N3CCCCC(C3)N4CCCC4

DOS

IR

Vibrations