Geometry & MOs

Info

ID:	358867
PubChem CID:	127296738
Reduced:	OSN5C20H27 (1)
Stoich.:	ABC5D20E27 (1)
Weight, g/mol:	361.259009
ΔH_f, kcal/mol:	6.52
Dipole, Da:	5.45
IP(EA), eV:	-8.85(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-[(1-methylpiperidin-2-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)N3CCCC(C3)N4CCCC4

DOS

IR

Vibrations