Geometry & MOs

Info

ID:	77389
PubChem CID:	48427734
Reduced:	N2O2C21H22 (1)
Stoich.:	A2B2C21D22 (1)
Weight, g/mol:	360.161997
ΔH_f, kcal/mol:	4.07
Dipole, Da:	4.48
IP(EA), eV:	-9.2(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(2-methylpropoxy)pyridin-3-yl]-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(CC#C)C(=O)CCNC(=O)C2=CC=CC=C2

DOS

IR

Vibrations