Geometry & MOs

Info

ID:	179091
PubChem CID:	76432468
Reduced:	FON2C23H27 (1)
Stoich.:	ABC2D23E27 (1)
Weight, g/mol:	417.219846
ΔH_f, kcal/mol:	-65.11
Dipole, Da:	3.21
IP(EA), eV:	-9.03(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-1-[7-(2-methyl-3-phenylprop-2-enyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]propyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2CCC3C(C2)CCC(=O)N3CC4=CC=C(C=C4)F

DOS

IR

Vibrations