Geometry & MOs

Info

ID:	369513
PubChem CID:	127334269
Reduced:	O2N5C18H25 (1)
Stoich.:	A2B5C18D25 (1)
Weight, g/mol:	389.152161
ΔH_f, kcal/mol:	-48.53
Dipole, Da:	8.49
IP(EA), eV:	-8.57(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(6-methylpyridazin-3-yl)amino]phenyl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C(=O)NC1=CC2=C(C=C1)NN=C2)NC(=O)N3CCCC3

DOS

IR

Vibrations