Geometry & MOs

Info

ID:	367632
PubChem CID:	127325122
Reduced:	O3N5C17H23 (1)
Stoich.:	A3B5C17D23 (1)
Weight, g/mol:	347.177982
ΔH_f, kcal/mol:	-41.58
Dipole, Da:	2.09
IP(EA), eV:	-9.54(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(azepan-1-yl)ethyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CN(C)C(=O)C2CCC(=O)N(C2C3=CN(N=C3)C)C

DOS

IR

Vibrations