Geometry & MOs

Info

ID:	359292
PubChem CID:	127298224
Reduced:	O3N6C17H24 (1)
Stoich.:	A3B6C17D24 (1)
Weight, g/mol:	374.177647
ΔH_f, kcal/mol:	-53.6
Dipole, Da:	2.97
IP(EA), eV:	-8.57(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N=C1C)C)C(=O)NC2=NN(C=C2)CCN3CCOCC3

DOS

IR

Vibrations