Geometry & MOs

Info

ID:	363329
PubChem CID:	127310841
Reduced:	OSN5C17H21 (1)
Stoich.:	ABC5D17E21 (1)
Weight, g/mol:	388.114002
ΔH_f, kcal/mol:	57.75
Dipole, Da:	4.59
IP(EA), eV:	-8.99(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=NC(=NC=C2)C3CC3)CC4=CSC=N4

DOS

IR

Vibrations