Geometry & MOs

Info

ID:	74067
PubChem CID:	48421416
Reduced:	BrN2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	377.04874
ΔH_f, kcal/mol:	-41.53
Dipole, Da:	4.17
IP(EA), eV:	-8.97(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[1-(4-bromophenyl)cyclopropyl]carbamoylamino]pyrazol-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CC1(C2=CC=C(C=C2)Br)NC(=O)NCC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations