Geometry & MOs

Info

ID:	362517
PubChem CID:	127308081
Reduced:	O2N3C23H33 (1)
Stoich.:	A2B3C23D33 (1)
Weight, g/mol:	317.221561
ΔH_f, kcal/mol:	-75.7
Dipole, Da:	2.88
IP(EA), eV:	-9.1(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2CC2)NC(=O)CN3CCCC(C3)C(=O)N4CCCC4

DOS

IR

Vibrations