Geometry & MOs

Info

ID:	414476
PubChem CID:	135087434
Reduced:	O2N3C18H35 (1)
Stoich.:	A2B3C18D35 (1)
Weight, g/mol:	354.140199
ΔH_f, kcal/mol:	-103.67
Dipole, Da:	3.98
IP(EA), eV:	-9.1(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1H-inden-1-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC(CCCC(C)(C)OC)CCN(CCO)CC1=CN=CN1C

DOS

IR

Vibrations