Geometry & MOs

Info

ID:	171410
PubChem CID:	75374388
Reduced:	ION4H7C10 (1)
Stoich.:	ABC4D7E10 (1)
Weight, g/mol:	323.177982
ΔH_f, kcal/mol:	70.22
Dipole, Da:	4.57
IP(EA), eV:	-9.38(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopropylethyl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1I)C(=NN2)C(=O)NCC#N

DOS

IR

Vibrations