Geometry & MOs

Info

ID:	126678
PubChem CID:	50973087
Reduced:	OSN4C15H18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	330.157957
ΔH_f, kcal/mol:	-1.99
Dipole, Da:	2.95
IP(EA), eV:	-9.19(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

furan-2-yl-[4-[(2-hydroxy-3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)NCC2=NC3=C(S2)CCCC3)C

DOS

IR

Vibrations