Geometry & MOs

Info

ID:	234675
PubChem CID:	92303286
Reduced:	ClO2N3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	386.231791
ΔH_f, kcal/mol:	-28.16
Dipole, Da:	5.54
IP(EA), eV:	-9.32(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylurea

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CN(CC2=NC=CN2CC3=CC=CC=C3Cl)C(=O)C4CC4

DOS

IR

Vibrations