Geometry & MOs

Info

ID:	330580
PubChem CID:	127247987
Reduced:	SO3N5C14H25 (1)
Stoich.:	AB3C5D14E25 (1)
Weight, g/mol:	343.167811
ΔH_f, kcal/mol:	-97.66
Dipole, Da:	6.13
IP(EA), eV:	-8.77(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]-4-methylsulfonyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN2CCN(CC(C2)C(=O)N(C)C)S(=O)(=O)C

DOS

IR

Vibrations