Geometry & MOs

Info

ID:	243809
PubChem CID:	99239743
Reduced:	BrO2N4C20H25 (1)
Stoich.:	AB2C4D20E25 (1)
Weight, g/mol:	367.178358
ΔH_f, kcal/mol:	-0.13
Dipole, Da:	5.18
IP(EA), eV:	-8.6(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-3-[[4-(cyclopropylmethoxy)benzoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=NNC(=C3Br)C4CC4

DOS

IR

Vibrations