Geometry & MOs

Info

ID:	420163
PubChem CID:	135111519
Reduced:	ON2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	336.150764
ΔH_f, kcal/mol:	-53.97
Dipole, Da:	3.13
IP(EA), eV:	-8.32(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-methoxy-2-methylbenzoyl)-1,4-diazepan-1-yl]-2-methylsulfanylethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC(C)(C)C(=O)N(CCN(C)C)CC2=C(NC=N2)C

DOS

IR

Vibrations