Geometry & MOs

Info

ID:	420262
PubChem CID:	135112122
Reduced:	ON6C22H34 (1)
Stoich.:	AB6C22D34 (1)
Weight, g/mol:	346.109962
ΔH_f, kcal/mol:	-5.57
Dipole, Da:	5.81
IP(EA), eV:	-8.04(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]ethyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCN(CC2)CC(=O)N(CCN(C)C)CC3=CN=C(N3)C

DOS

IR

Vibrations