Geometry & MOs

Info

ID:	359898
PubChem CID:	127299942
Reduced:	BrON4C18H29 (1)
Stoich.:	ABC4D18E29 (1)
Weight, g/mol:	369.08004
ΔH_f, kcal/mol:	-37.63
Dipole, Da:	2.72
IP(EA), eV:	-9.14(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C(C)N2CCC(CC2)N3C=C(C=N3)Br

DOS

IR

Vibrations