Geometry & MOs

Info

ID:	126677
PubChem CID:	50973086
Reduced:	N5C18H27 (1)
Stoich.:	A5B18C27 (1)
Weight, g/mol:	302.120132
ΔH_f, kcal/mol:	61.41
Dipole, Da:	5.95
IP(EA), eV:	-8.93(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CCN1C=NN=C1CN(C)C2CCN(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations