Geometry & MOs

Info

ID:	347605
PubChem CID:	127272460
Reduced:	OSN6C17H24 (1)
Stoich.:	ABC6D17E24 (1)
Weight, g/mol:	380.207307
ΔH_f, kcal/mol:	-4.97
Dipole, Da:	3.95
IP(EA), eV:	-8.87(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-3-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]urea

Drug info:

PubChemData

Smile

C[C@H](C1=NN=C2N1CCCCC2)NC(=O)NC3=NC4=C(S3)CCCC4

DOS

IR

Vibrations