Geometry & MOs

Info

ID:	74068
PubChem CID:	48421418
Reduced:	BrO2N5C15H16 (1)
Stoich.:	AB2C5D15E16 (1)
Weight, g/mol:	412.06472
ΔH_f, kcal/mol:	3.41
Dipole, Da:	5.26
IP(EA), eV:	-8.88(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-bromophenyl)cyclopropyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea

Drug info:

PubChemData

Smile

C1CC1(C2=CC=C(C=C2)Br)NC(=O)NC3=CN(N=C3)CC(=O)N

DOS

IR

Vibrations