Geometry & MOs

Info

ID:	243820
PubChem CID:	99239852
Reduced:	BrON3C17H20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	450.09027
ΔH_f, kcal/mol:	32.83
Dipole, Da:	5.55
IP(EA), eV:	-9.28(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-[(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-2-methoxyphenyl]carbamate

Drug info:

PubChemData

Smile

CCCN(CC1=CC=CC=C1)C(=O)C2=NNC(=C2Br)C3CC3

DOS

IR

Vibrations