Geometry & MOs

Info

ID:	363328
PubChem CID:	127310840
Reduced:	ON5C16H19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	343.146681
ΔH_f, kcal/mol:	35.44
Dipole, Da:	4.37
IP(EA), eV:	-8.9(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopropylpyrimidin-4-yl)-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN2C=C(N=C2C1)CNC(=O)C3=NC(=NC=C3)C4CC4

DOS

IR

Vibrations