Geometry & MOs

Info

ID:	205246
PubChem CID:	80075661
Reduced:	FNOC14H22 (1)
Stoich.:	ABCD14E22 (1)
Weight, g/mol:	220.157563
ΔH_f, kcal/mol:	-90.39
Dipole, Da:	2.43
IP(EA), eV:	-8.91(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)butan-2-ol

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)F)C(C)NCCOC

DOS

IR

Vibrations